chemcoord.AsymmetricUnitCartesian¶
-
class
chemcoord.
AsymmetricUnitCartesian
(frame=None, atoms=None, coords=None, index=None, metadata=None, _metadata=None)[source]¶ Manipulate cartesian coordinates while preserving the point group.
This class has all the methods of a
Cartesian
, with one additionalget_cartesian()
method and contains only one member of each symmetry equivalence class.get_cartesian
()Return a Cartesian
where all members of a symmetry equivalence class are inserted back in.